ID: 40657
SMILES:c12c(ccc(O)c1)-c1cc(OC)c(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -12.168
InChIKey:XCCJHTYVDLDMHV-UHFFFAOYSA-N
ID: 40658
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -16.688
InChIKey:ZVTOCVBWXYGEFC-UHFFFAOYSA-N
ID: 40659
SMILES:C1C(C)(C)C2CC(c3c(O)cc(CCCCC)cc3O)(C)CCC2C(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -14.444
InChIKey:SZGAIYABUWMPOC-UHFFFAOYSA-N
ID: 40660
SMILES:COc1cc(C2C(C(C)=C)CC(=O)C(CO)=C2)c(O)c2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -9.863
InChIKey:RASAVAIWBSRRRG-UHFFFAOYSA-N
ID: 40661
SMILES:C1C(C)=CC2c3c(ccc(O)c3)OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.067
InChIKey:OBJJEVJNCDBGOD-UHFFFAOYSA-N
ID: 40662
SMILES:C1(c2c(O)cc(CCC)cc2O)CC(C)=CCC(=O)C(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.23
InChIKey:STMQSFNCSUWYQX-UHFFFAOYSA-N
ID: 40663
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1=CCC(C)=CC1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -14.162
InChIKey:UOCKXWUQSCTZNG-UHFFFAOYSA-N
ID: 40664
SMILES:C1C(O)C(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.117
InChIKey:MXUOIXUYYPCNHG-UHFFFAOYSA-N
ID: 40665
SMILES:c1(O)c2c(cc(CCCCC)c1C(=O)C(CC)C)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.836
InChIKey:LYDXHUIWMOYBIK-UHFFFAOYSA-N
ID: 40666
SMILES:CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 40667
SMILES:C1(C)C(C)C(c2c(O)cc(CCCC)cc2O)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -17.599
InChIKey:PRGCJCVHIBODGT-UHFFFAOYSA-N
ID: 40668
SMILES:c1(C)c(C(OCC)=O)c(O)c2c(c1)OC(C)(C)C1CCC(C(OC)=O)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.433
CB1 binding score: -15.349
InChIKey:SVKIDXUXONVVFC-UHFFFAOYSA-N
ID: 40669
SMILES:c1cccc2c3c(c(C)[n+]c21)OC(C)(C)C1CCC(C)=CC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 293.41
CB1 binding score: -14.399
InChIKey:GBSRQXLEZMFGST-UHFFFAOYSA-N
ID: 40670
SMILES:C1(=O)CC2(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C1C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.709
InChIKey:BBKZKNUBKDNCCQ-UHFFFAOYSA-N
ID: 40671
SMILES:C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(O)=O)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.51
InChIKey:LVQZQKXEEYFSQO-UHFFFAOYSA-N
ID: 40672
SMILES:CC1(C)C2C(c3c(cc(CCCCC)cc3OC)O1)C(CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -14.069
InChIKey:PBBGRMWAHZXRCV-UHFFFAOYSA-N
ID: 40673
SMILES:C(CC)CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 40674
SMILES:C1C=CC2C3(C1C)C(C(C)(C)Oc1c2c(O)cc(CCCCC)c1)CC(C)C3OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -13.32
InChIKey:PJVMRXGDVSHZSL-UHFFFAOYSA-N
ID: 40675
SMILES:C123c4c(O)cc(CCCCC)cc4OC(C)(CCC1C(C)CO)C(C)C2O3
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -16.271
InChIKey:CHPXHOZUWMDVJR-UHFFFAOYSA-N
ID: 40676
SMILES:C(CC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.843
InChIKey:QHCQSGYWGBDSIY-UHFFFAOYSA-N
ID: 40677
SMILES:C1=Cc2c(cc(CCCC)cc2O)OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 232.323
CB1 binding score: -18.332
InChIKey:BLTMDVBCVIKEGR-UHFFFAOYSA-N